BMC Bioinformatics

Table 4 Tenfold cross validation of three kinds of algorithms for Kd feature subset

From: Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

Model (Kd)	R²		MSE		RMSE		MAE		SSE
Model (Kd)	Train	Test	Train	Test	Train	Test	Train	Test	Train	Test
SVM	0.9099	0.5083	0.1254	0.7290	0.3541	0.8538	0.2116	0.6406	1230	808.4
RF	0.9425	0.9485	0.1208	0.1191	0.3476	0.3451	0.2640	0.2594	1204	132.1
ANN	0.5857	0.2961	0.5612	1.0190	0.7491	1.0095	0.5792	0.7390	5593	1130

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ISSN: 1471-2105

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